5-Chloro-2-methoxyaniline
Structural formula
| Business number | 028K |
|---|---|
| Molecular formula | C7H8ClNO |
| Molecular weight | 157.60 |
| label |
4-Chloro-2-aminoanisole, 5-Chloro-o-anisidine, 2-Amino-4-chloroanisole, 5-Chloro-2-methoxyaniline, 2-Amino-4-chioroanisole, 4-Chloro-2-amino-anisole, ClC6H3(OCH3)NH2 |
Numbering system
CAS number:95-03-4
MDL number:MFCD00007777
EINECS number:202-385-2
RTECS number:None
BRN number:879161
PubChem number:24854029
Physical property data
1. Properties: needle-like crystals.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 84
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 1.03KPa): 135
7. Refractive index: Undetermined
8. Flash point (ºC): 136
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V) : Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol and ether, and can evaporate with steam.
Toxicological data
None
Ecological data
Slightly harmful to water.
Molecular structure data
1. Molar refractive index: 42.06
2. Molar volume (cm3/mol): 127.6
3. Isotonic specific volume (90.2K ): 325.6
4. Surface tension (dyne/cm): 42.3
5. Polarizability (10-24cm3): 16.67
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.9
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 35.3
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 110
10 , Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.
Synthesis method
It is obtained by methoxylation and reduction of 2,5-dichloronitrobenzene.
(1) Methoxylation Add 1400kg of molten 2,5-dichloronitrobenzene and 775L of methanol into the reactor and start stirring. At around 55ºC, when the temperature starts to drop, heat to 70ºC. Within 17 hours, 2615L of methanol solution containing 11% sodium hydroxide was added quickly and then slowly. The reaction temperature gradually increased from 70ºC to 85ºC. After the addition was completed, it was kept at 85ºC for 6 hours. For sampling and verification, it is required that the alkali content is ≤0.1%, the phenol content is ≤0.4%, and the melting point is ≥92.5ºC to be qualified. Then evaporate the methanol, add water, stop stirring, let it stand for stratification, and then suck the lower layer material into the reduction metering tank. The yield is 95%.
(2) Reduction Add 5800L of 17.5% sodium sulfide into the reduction kettle, heat to 106ºC, slowly add the methoxylation material while stirring within 1.5 hours, and keep the reactants boiling and refluxing. After the addition is completed, continue to reflux in the kettle for 2.5 hours, then add 1000L of water, cool to 95ºC, and let stand for 30 to 45 minutes. Place the lower material in an iron plate, cool, and agglomerate to obtain a rough finished product.
Purpose
Dye intermediates. The crude product is decolorized with hydrochloride, activated carbon, and salted out with salt to obtain the bright red base RC.
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